Table 3 Comparison of average RMSD values obtained for Designed Peptides and Conjugates with NOPR over 100 ns simulation

NPFF

1.519

1.141

Gallate-NPFF

1.651

0.903

Pomolate-NPFF

1.504

1.658

Sinapate-NPFF

1.700

1.137

Betanin-NPFF

2.317

1.453

Betanin-di-NPFF

1.183

0.370

Betanin-tri-NPFF

1.149

0.241

MiF1

1.049

1.287

Gallate-MiF-1

0.93

0.581

Pomolate-MiF-1

0.749

1.289

Sinapate-MiF-1

0.993

4.169

Betanin-MiF-1

2.97

2.620

Betanin-di-MiF-1

1.276

0.835

Betanin-tri-MiF-1

1.636

1.579

FGGFTGARKSARKLANQ

1.358

2.052